5-oxo-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]pyrrolidine-2-carboxamide

C18H25N3O2 — CID 136523505

IUPAC5-oxo-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]pyrrolidine-2-carboxamide
SMILESO=C1CCC(C(=O)NCC2CCN(CCc3ccccc3)C2)N1
InChIInChI=1S/C18H25N3O2/c22-17-7-6-16(20-17)18(23)19-12-15-9-11-21(13-15)10-8-14-4-2-1-3-5-14/h1-5,15-16H,6-13H2,(H,19,23)(H,20,22)
InChIKeySJBXGCOMBFOESC-UHFFFAOYSA-N
MW315.42 g/mol
LogP0.95
Rot. Bonds6

About 5-oxo-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]pyrrolidine-2-carboxamide

5-oxo-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]pyrrolidine-2-carboxamide (PubChem CID 136523505) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 5-oxo-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name5-oxo-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]pyrrolidine-2-carboxamide
PubChem CID136523505
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name5-oxo-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]pyrrolidine-2-carboxamide
SMILESO=C1CCC(C(=O)NCC2CCN(CCc3ccccc3)C2)N1
InChIInChI=1S/C18H25N3O2/c22-17-7-6-16(20-17)18(23)19-12-15-9-11-21(13-15)10-8-14-4-2-1-3-5-14/h1-5,15-16H,6-13H2,(H,19,23)(H,20,22)
InChIKeySJBXGCOMBFOESC-UHFFFAOYSA-N
XLogP0.95
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 122081520
3-amino-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119866949
N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
CID 75390383
2-(methylamino)-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
CID 120704332
(2R,6R)-2,6-dimethyl-N-[[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]morpholine-4-carboxamide
CID 100844139
N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide;dihydrochloride
CID 119866991
1-[[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-3-prop-2-enylurea
CID 95570926
1-[(1R,2R)-2-methylcyclopropyl]-3-[[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea
CID 129423731
N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]naphthalene-2-carboxamide
CID 75369445
4-amino-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]pentanamide
CID 120565090
4-amino-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]pentanamide;dihydrochloride
CID 120565089
2-(3-fluorophenyl)-N-[[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
CID 95302178

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 5-oxo-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]pyrrolidine-2-carboxamide (CID 136523505) is 5-oxo-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 5-oxo-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 5-oxo-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]pyrrolidine-2-carboxamide is O=C1CCC(C(=O)NCC2CCN(CCc3ccccc3)C2)N1.
What is the InChIKey of 5-oxo-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is SJBXGCOMBFOESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c22-17-7-6-16(20-17)18(23)19-12-15-9-11-21(13-15)10-8-14-4-2-1-3-5-14/h1-5,15-16H,6-13H2,(H,19,23)(H,20,22).
What are the key properties of 5-oxo-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]pyrrolidine-2-carboxamide?
5-oxo-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 136523505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).